HMDB0030781 RDKit 3D Isomammein 55 56 0 0 0 0 0 0 0 0999 V2000 -4.5043 -3.7291 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -3.4723 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -3.2111 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -2.9165 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -3.9693 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -3.7182 1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 -4.6107 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -2.5252 0.9602 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8022 -1.5402 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3161 -0.2954 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 -0.1889 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -0.8266 -0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9841 -0.1892 -1.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 1.2033 -1.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -0.9335 -3.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 0.7881 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 2.0193 -0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 0.6808 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 1.8270 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 1.6741 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 3.1795 -0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 4.0935 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 3.6872 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 5.5051 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -0.5685 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 -0.7542 0.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 -1.6715 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 -4.7541 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8949 -2.9724 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 -3.5880 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -2.7327 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 -4.4513 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1335 -2.4791 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6461 -4.2276 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 -4.9444 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 -0.8381 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 0.8260 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9843 -1.8789 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 1.3717 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 1.3553 -2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 1.8782 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4134 -0.6217 -3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 -2.0071 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 -0.6948 -3.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 2.2204 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 3.3226 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 3.5196 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6072 4.0941 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 4.1591 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 2.5959 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 3.9978 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 6.1114 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 5.5251 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 5.9262 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5114 -0.2508 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 10 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 18 25 1 0 25 26 1 0 25 27 2 0 27 4 1 0 27 9 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 5 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 17 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 24 54 1 0 26 55 1 0 M END